pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.22	AttenGpKa training set	0	-1	COC(=O)[C@@H](C)[N+](=O)[O-]	COC(=O)[C-](C)[N+](=O)[O-]	mol27849	COC(=O)C(C)[N+](=O)[O-]